Chemical Properties of Terephthalic acid, pentyl 4-trifluoromethoxybenzyl ester

InChI

InChI=1S/C21H21F3O5/c1-2-3-4-13-27-19(25)16-7-9-17(10-8-16)20(26)28-14-15-5-11-18(12-6-15)29-21(22,23)24/h5-12H,2-4,13-14H2,1H3

InChI Key

JUKHZDHHAMWVAL-UHFFFAOYSA-N

Formula

C21H21F3O5

SMILES

CCCCCOC(=O)c1ccc(C(=O)OCc2ccc(OC(F)(F)F)cc2)cc1

Molecular Weight¹

410.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-822.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1245.55	kJ/mol	Joback Calculated Property
ΔfusH°	46.04	kJ/mol	Joback Calculated Property
ΔvapH°	85.19	kJ/mol	Joback Calculated Property
log10WS	-7.02		Crippen Calculated Property
logPoct/wat	5.289		Crippen Calculated Property
McVol	285.290	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[2670.00; 2670.00]
Inp	2670.00		NIST
Inp	2670.00		NIST
Tboil	912.78	K	Joback Calculated Property
Tc	1127.40	K	Joback Calculated Property
Tfus	575.05	K	Joback Calculated Property
Vc	1.105	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[887.73; 944.47]	J/mol×K	[912.78; 1127.40]
Cp,gas	887.73	J/mol×K	912.78	Joback Calculated Property
Cp,gas	900.14	J/mol×K	948.55	Joback Calculated Property
Cp,gas	911.31	J/mol×K	984.32	Joback Calculated Property
Cp,gas	921.29	J/mol×K	1020.09	Joback Calculated Property
Cp,gas	930.11	J/mol×K	1055.86	Joback Calculated Property
Cp,gas	937.82	J/mol×K	1091.63	Joback Calculated Property
Cp,gas	944.47	J/mol×K	1127.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, pentyl 4-trifluoromethoxybenzyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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